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Home Other Building Blocks 4,6,12-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene

4,6,12-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene

CAS No.:
412016-37-6
Catalog Number:
AG01ATW0
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01ATW0
Chemical Name:
4,6,12-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene
CAS Number:
412016-37-6
MDL Number:
MFCD20689161
IUPAC Name:
4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
InChI:
InChI=1S/C9H11N3/c1-2-8-7-4-10-5-11-9(7)3-6(1)12-8/h4-6,8,12H,1-3H2
InChI Key:
OTYQMHKAYHPBDY-UHFFFAOYSA-N
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
3D QSAR analyses-guided rational design of novel ligands for the (alpha4)2(beta2)3 nicotinic acetylcholine receptor. Journal of medicinal chemistry 20030522
Properties